Pm3(InAu3)2
Alexandria ALEXAlex-ID: agm003348337 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C6_168_spg139
PmAu2 PmInAu2
2022-02-02 17:09:59.440103
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348337).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003348337
data_agm003348337
_cell_length_a 4.01670
_cell_length_b 4.01670
_cell_length_c 16.88412
_cell_angle_alpha 96.83146
_cell_angle_beta 96.83146
_cell_angle_gamma 90.00000
_cell_volume 268.52498
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.81568 0.81568 0.63136 1.00000
Pm3 Pm 0.18432 0.18432 0.36864 1.00000
In1 In 0.36726 0.36726 0.73452 1.00000
In2 In 0.63274 0.63274 0.26548 1.00000
Au1 Au 0.07001 0.57001 0.14002 1.00000
Au2 Au 0.57001 0.07001 0.14002 1.00000
Au3 Au 0.92999 0.42999 0.85998 1.00000
Au4 Au 0.42999 0.92999 0.85998 1.00000
Au5 Au 0.72460 0.72460 0.44920 1.00000
Au6 Au 0.27540 0.27540 0.55080 1.00000
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